propyl 2-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)acetate

C15H17NO4 — CID 54682419

IUPACpropyl 2-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)acetate
SMILESCCCOC(=O)Cc1c(O)c2ccccc2n(C)c1=O
InChIInChI=1S/C15H17NO4/c1-3-8-20-13(17)9-11-14(18)10-6-4-5-7-12(10)16(2)15(11)19/h4-7,18H,3,8-9H2,1-2H3
InChIKeyCBKIPSBSCTYYOT-UHFFFAOYSA-N
MW275.30 g/mol
LogP1.74
Rot. Bonds4

About propyl 2-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)acetate

propyl 2-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)acetate (PubChem CID 54682419) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is propyl 2-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)acetate.

Molecular Properties

Compound Namepropyl 2-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)acetate
PubChem CID54682419
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Namepropyl 2-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)acetate
SMILESCCCOC(=O)Cc1c(O)c2ccccc2n(C)c1=O
InChIInChI=1S/C15H17NO4/c1-3-8-20-13(17)9-11-14(18)10-6-4-5-7-12(10)16(2)15(11)19/h4-7,18H,3,8-9H2,1-2H3
InChIKeyCBKIPSBSCTYYOT-UHFFFAOYSA-N
XLogP1.74
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of propyl 2-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)acetate?
The IUPAC name of propyl 2-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)acetate (CID 54682419) is propyl 2-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)acetate.
What is the SMILES notation for propyl 2-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)acetate?
The canonical SMILES for propyl 2-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)acetate is CCCOC(=O)Cc1c(O)c2ccccc2n(C)c1=O.
What is the InChIKey of propyl 2-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)acetate?
The InChIKey is CBKIPSBSCTYYOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-3-8-20-13(17)9-11-14(18)10-6-4-5-7-12(10)16(2)15(11)19/h4-7,18H,3,8-9H2,1-2H3.
What are the key properties of propyl 2-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)acetate?
propyl 2-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)acetate has a molecular weight of 275.30 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)acetate is sourced from PubChem (CID 54682419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).